myo-inositol

Ligand id: 4495

Name: myo-inositol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 0
Topological polar surface area 121.38
Molecular weight 180.06
XLogP -1.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(1R,2R,3r,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol
Synonyms
D-myo-inositol
Database Links
CAS Registry No. 87-89-8 (source: Scifinder)
ChEBI CHEBI:17268
ChEMBL Ligand CHEMBL1222251
DrugBank Ligand DB03106
PubChem CID 892
RCSB PDB Ligand INS
Search Google for chemical match using the InChIKey CDAISMWEOUEBRE-GPIVLXJGSA-N
Search Google for chemicals with the same backbone CDAISMWEOUEBRE
Search UniChem for chemical match using the InChIKey CDAISMWEOUEBRE-GPIVLXJGSA-N
Search UniChem for chemicals with the same backbone CDAISMWEOUEBRE
Wikipedia Inositol
Comments
PubChem CID 892 shows the non-chiral inositol structure